N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C16H16N2O2S — CID 70734151

IUPACN-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NCc2oc3ccccc3c2C)cs1
InChIInChI=1S/C16H16N2O2S/c1-10-13-5-3-4-6-14(13)20-15(10)8-17-16(19)7-12-9-21-11(2)18-12/h3-6,9H,7-8H2,1-2H3,(H,17,19)
InChIKeyILBNCACKYLUJPP-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.37
Rot. Bonds4

About N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 70734151) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID70734151
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NCc2oc3ccccc3c2C)cs1
InChIInChI=1S/C16H16N2O2S/c1-10-13-5-3-4-6-14(13)20-15(10)8-17-16(19)7-12-9-21-11(2)18-12/h3-6,9H,7-8H2,1-2H3,(H,17,19)
InChIKeyILBNCACKYLUJPP-UHFFFAOYSA-N
XLogP3.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimethyl-3-[(3-methyl-1-benzofuran-2-yl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109423897
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
2-[2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81311652
2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 83620719
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29454557
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 110717409
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9124350
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70744303
N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 38700582
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-3-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine;hydroiodide
CID 111603454
N-[(6-chloro-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane
CID 143940637
2-(2-methoxyethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789587

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 70734151) is N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NCc2oc3ccccc3c2C)cs1.
What is the InChIKey of N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is ILBNCACKYLUJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10-13-5-3-4-6-14(13)20-15(10)8-17-16(19)7-12-9-21-11(2)18-12/h3-6,9H,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 300.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 70734151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).